Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6394039698
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 25 USD | 98 | 20 working days | Get Quote |
| 5 mg | 25 USD | 98 | 20 working days | Get Quote |
| 10 mg | 25 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-6394039698.sdf |
| SMILES | MCULE-6394039698.smiles |
| Standard InChI | MCULE-6394039698.inchi |
| InChIKey | MCULE-6394039698.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872831280 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875804712 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869225309 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610978899 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 44.58 g |
| P-851716385 | AmBeed | On request | N/A | As is | by synthesis |
| P-865921847 | Angene | Building Blocks in stock | 98 | As is | 30 g |
| P-869386351 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-590903593 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-868563243 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580389982 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-569205947 | Eximed | In-stock screening compounds | 90 | As is | 180 mg |
| P-889350453 | FluoroChem | General BB | N/A | As is | in stock |
| P-870653957 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-502791901 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492219601 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488544285 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13999389 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-596593907 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
| P-580501769 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-854885325 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-26369432 | Otava | In-House Stock Library | 90 | As is | 180 mg |
| P-454364888 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-674708771 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
| P-424828836 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885515842 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23340823 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502354242 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-2712599 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.084 g |
| P-464681918 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.084 g |
| P-886893986 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 238.237 |
| logP | 3.1656 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 69.943 |
| Atoms | 28 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
